| CAS Number | 1332650-85-7 |
| Catalog Number | AG01DUCQ |
| Chemical Name | {2-[(tert-butoxy)methyl]-5-fluorophenyl}boronic acid |
| IUPAC Name | [5-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]boronic acid |
| InChI | InChI=1S/C11H16BFO3/c1-11(2,3)16-7-8-4-5-9(13)6-10(8)12(14)15/h4-6,14-15H,7H2,1-3H3 |
| InChI Key | LHQNRNXARAPRIX-UHFFFAOYSA-N |
| MDL Number | MFCD14687300 |
| Molecular Formula | C11H16BFO3 |
| Molecular Weight | 226.0523 |
| SMILES | C(C)(C)(C)OCC1=C(C=C(C=C1)F)B(O)O |
| Synonyms | 1332650-85-7,
AKOS010795852,
AS-55433,
(2-(tert-butoxymethyl)-5-fluorophenyl)boronic acid,
{2-[(tert-butoxy)methyl]-5-fluorophenyl}boronic acid,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.054g/mol |
| Monoisotopic Mass | 226.118g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number